Modeling the ionic transport in mesoporous materials
Sign Up to like & getrecommendations! Published in 2018 at "Construction and Building Materials"
DOI: 10.1016/j.conbuildmat.2018.09.155
Abstract: Abstract This work documents the modeling of ionic transfer through porous materials under an external electrical field. A pore model network that accounts for the electrical double layer impact was developed and scaled up at… read more here.
Keywords: ionic transport; materials modeling; modeling ionic; mesoporous materials ... See more keywords
Modeling Metal Influence on the Gate Opening in ZIF-8 Materials
Sign Up to like & getrecommendations! Published in 2021 at "Chemistry of Materials"
DOI: 10.1021/acs.chemmater.1c00623
Abstract: Zeolitic imidazolate frameworks (ZIFs) undergo pressure-induced phase transitions that are peculiar to each ZIF. The phase transition is associated with the rotation of the imidazolate, and it is a... read more here.
Keywords: modeling metal; opening zif; materials modeling; influence gate ... See more keywords
Multiscale measurements for materials modeling
Sign Up to like & getrecommendations! Published in 2017 at "Science"
DOI: 10.1126/science.aan2544
Abstract: Tracking defect motion in polycrystalline materials can help model emergent properties X-ray Bragg coherent diffractive imaging (BCDI) provides an opportunity to connect the nanoscale world of crystalline lattice defects with the meso- and macroscale world… read more here.
Keywords: measurements materials; multiscale measurements; materials modeling;
Modeling the Simultaneous Effects of Particle Size and Porosity in Simulating Geo-Materials
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DOI: 10.3390/ma15041576
Abstract: The particle discrete element method (PDEM) is widely used to simulate rock and soil materials to obtain stress and strain. However, there are three shortcomings: (1) Single sphere or ellipsoids directly replace the soil particles;… read more here.
Keywords: particle size; modeling simultaneous; materials modeling; porosity ... See more keywords
Review on Frontal Polymerization Behavior for Thermosetting Resins: Materials, Modeling and Application
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DOI: 10.3390/polym16020185
Abstract: The traditional curing methods for thermosetting resins are energy-inefficient and environmentally unfriendly. Frontal polymerization (FP) is a self-sustaining process relying on the exothermic heat of polymerization. During FP, the external energy input (such as UV… read more here.
Keywords: modeling application; thermosetting resins; polymerization; frontal polymerization ... See more keywords